Mechanism of carbon nanotubes unzipping into graphene ribbons

Journal of Chemical Physics

Volumn 131, Issue 3, 2009, Pages

  Rangel, Norma L ^a,b   Sotelo, Juan C ^b,c   Seminario, Jorge M ^a,b  

^a TEXAS A AND M UNIVERSITY   (United States)

^b Texas AandM University   (United States)

^c UNIVERSIDAD PERUANA CAYETANO HEREDIA   (Peru)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; C-C BONDS; DENSITY FUNCTIONAL THEORY CALCULATIONS; GRAPHENE; GRAPHENE NANORIBBONS; POTASSIUM PERMANGANATE; SULFURIC ACID SOLUTION;

CARBON NANOTUBES; CHEMICAL BONDS; POTASSIUM; SULFURIC ACID;

DENSITY FUNCTIONAL THEORY;

CARBON NANOTUBE; FURAN DERIVATIVE; GRAPHENONE; PERMANGANATE POTASSIUM; SULFURIC ACID;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; SOLUTION AND SOLUBILITY;

COMPUTER SIMULATION; FURANS; MODELS, CHEMICAL; NANOTUBES, CARBON; POTASSIUM PERMANGANATE; QUANTUM THEORY; SOLUTIONS; SULFURIC ACIDS;

EID: 67651154533     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3170926     Document Type: Article

References (11)

1. D. V. Kosynkin, A. L. Higginbotham, A. Sinitskii, J. R. Lomeda, A. Dimiev, B. K. Price, and J. M. Tour, Nature (London) 0028-0836 458, 872 (2009). 10.1038/nature07872
2. L. Jiao, L. Zhang, X. Wang, G. Diankov, and H. Dai, Nature (London) 0028-0836 458, 877 (2009). 10.1038/nature07919
3. A. G. Cano-Marquez, F. J. Rodriguez-Macias, J. Campos-Delgado, C. G. Espinosa-Gonzalez, F. Tristan-Lopez, D. Ramirez-Gonzalez, D. A. Cullen, D. J. Smith, M. Terrones, and Y. I. Vega-Cantu, Nano Lett. 1530-6984 9, 1527 (2009). 10.1021/nl803585s
4. J. Liu, A. G. Rinzler, H. Dai, J. H. Hafner, R. K. Bradley, P. J. Boul, A. Lu, T. Iverson, K. Shelimov, C. B. Huffman, F. Rodriguez-Macias, Y. -S. Shon, T. R. Lee, D. T. Colbert, and R. E. Smalley, Science 0036-8075 280, 1253 (1998). 10.1126/science.280.5367.1253 (Pubitemid 28269617)
5. J. -L. Li, K. N. Kudin, M. J. McAllister, R. K. Prud'homme, I. A. Aksay, and R. Car, Phys. Rev. Lett. 0031-9007 96, 176101 (2006). 10.1103/PhysRevLett. 96.176101 (Pubitemid 47245027)
6. N. L. Rangel and J. M. Seminario, J. Phys. Chem. A 1089-5639 112, 13699 (2008) 10.1021/jp808181n; A. K. Geim and K. S. Novoselov, Nature Mater. 1476-1122 6, 183 (2007). 10.1038/nmat1849
7. M. Terrones, Nature (London) 0028-0836 458, 845 (2009). 10.1038/458845a
8. A. D. Becke, J. Chem. Phys. 0021-9606 98, 5648 (1993) 10.1063/1.464913; J. P. Perdew and Y. Wang, Phys. Rev. B 0163-1829 45, 13244 (1992) 10.1103/PhysRevB.45.13244; J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 0163-1829 46, 6671 (1992). 10.1103/PhysRevB.46.6671
9. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 77, 3865 (1996) 10.1103/PhysRevLett.77.3865; P. C. Hariharan and J. A. Pople, Theor. Chim. Acta 0040-5744 28, 213 (1973). 10.1007/BF00533485
10. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN-2003, Revision E. 1 (Gaussian, Inc., Pittsburgh, PA, 2003).
11. P. Wang, C. N. Moorefield, S. Li, S. -H. Hwang, C. D. Shreiner, and G. R. Newkome, Chem. Commun. (Cambridge) 1359-7345 2006, 1091.